2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-bis(oxidanyl)phenyl]ethanoic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxy-phenyl]acetic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxyphenyl]acetic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxyphenyl]acetic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-6-ethyl-3,5-dihydroxy-phenyl]acetic acid Formula: C17H16O6 MolecularWeight: 316.30534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1CC(=O)O)C2=CC3=C(C=C2)OCO3)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1CC(=O)O)C2=CC3=C(C=C2)OCO3)O)O

InChI

InChI=1S/C17H16O6/c1-2-10-11(6-16(20)21)17(13(19)7-12(10)18)9-3-4-14-15(5-9)23-8-22-14/h3-5,7,18-19H,2,6,8H2,1H3,(H,20,21)